Tehdyt toimenpiteet
GPUs for molecular dynamics
So, how do they draw those fancy protein pictures?
This workshop deals with using graphics processing units (GPUs) for improving research work in the field of molecular modeling. The topics include using the extreme number-crunching power of GPUs to speed up classical molecular dynamics calculations with the Gromacs software and high-quality, high-throughput visualization of results with the VMD software.
The workshop consists of lectures given by Gromacs developers, and related hands-on exercises. The exercises are carried out in workstations powered by Nvidia Tesla cards.
Program
Day 1
9.30-10.00 Coffee
10.00-11.00 Lecture I
11.00-12.00 Lecture II
12.00-13.00 Lunch
13.00-14.30 Tutorials
14.30-14.45 Coffee
14.45-16.30 Tutorials continued
Day 2
9.30-10.30 Introduction to VMD & Using VMD with Gromacs
10.30-10.45 Coffee
10.45-12.00 Hands-on exercises
12.00-13.00 Lunch
13.00-13.45 Advanced VMD Features: Many Uses of Scripting
13.45-14.30 Hands-on exercises
14.30-14.45 Coffee
14.45-16.00 Hands-on exercises continued
16.00-16.30 Course wrap-up and discussion
Materials
- VMD / Gromacs exercises
- Gromacs GPU workshop slides 2
- Gromacs GPU workshop slides 1
- VMD GMX sample data
- 100 euros + VAT (23%) for Finnish academics
- 300 euros + VAT (23%) for others
Registration
Additional information
Please contact courses@csc.fi for further information.
